2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide

C17H27N3O2 — CID 119926119

IUPAC2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCC1CCCN(CC(=O)NCCOc2ccccc2)C1CN
InChIInChI=1S/C17H27N3O2/c1-14-6-5-10-20(16(14)12-18)13-17(21)19-9-11-22-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,18H2,1H3,(H,19,21)
InChIKeyCWJXBLNRJPKCMI-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.24
Rot. Bonds7

About 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 119926119) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID119926119
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCC1CCCN(CC(=O)NCCOc2ccccc2)C1CN
InChIInChI=1S/C17H27N3O2/c1-14-6-5-10-20(16(14)12-18)13-17(21)19-9-11-22-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,18H2,1H3,(H,19,21)
InChIKeyCWJXBLNRJPKCMI-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine
CID 62935912
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60685168
2-(3-aminopiperidin-1-yl)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119910163
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119926165
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119905333
1-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908573
1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63030488
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 119925950
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119922080
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 119926046
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60537932

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide (CID 119926119) is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide is CC1CCCN(CC(=O)NCCOc2ccccc2)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is CWJXBLNRJPKCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-6-5-10-20(16(14)12-18)13-17(21)19-9-11-22-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13,18H2,1H3,(H,19,21).
What are the key properties of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide?
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 119926119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).